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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:rocuronium
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Accession:CHEBI:8884 term browser browse the term
Definition:A 5alpha-androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.
Synonyms:exact_synonym: (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane
 related_synonym: Formula=C32H53N2O4;   InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1;   InChIKey=YXRDKMPIGHSVRX-OOJCLDBCSA-N;   SMILES=[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(CCCC3)CC=C)[C@@]1(C)C[C@@H]([C@@H](O)C2)N1CCOCC1
 alt_id: CHEBI:340257
 xref: CAS:143558-00-3;   DrugBank:DB00728;   Drug_Central:2396;   KEGG:C07556
 xref_mesh: MESH:C061870
 xref: PMID:10594422;   PMID:11123992;   PMID:16764586;   PMID:17667569;   PMID:23238810;   PMID:23372882;   PMID:23544332;   PMID:23560186;   PMID:23641322;   PMID:23678983;   PMID:23859417;   PMID:24147111;   PMID:29368335;   PMID:7741284;   PMID:8279688;   Reaxys:7155288;   Wikipedia:Rocuronium


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rocuronium term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Chrm1 cholinergic receptor, muscarinic 1 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM1 protein] CTD PMID:9846649 NCBI chr 1:205,567,226...205,583,001
Ensembl chr 1:205,567,220...205,582,356 		JBrowse link
G Chrm2 cholinergic receptor, muscarinic 2 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM2 protein] CTD PMID:9846649 NCBI chr 4:65,015,408...65,149,104
Ensembl chr 4:65,014,144...65,149,103 		JBrowse link
G Chrm3 cholinergic receptor, muscarinic 3 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM3 protein] CTD PMID:9846649 NCBI chr17:60,005,137...60,467,250
Ensembl chr17:60,005,202...60,467,278 		JBrowse link
G Chrm4 cholinergic receptor, muscarinic 4 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM4 protein] CTD PMID:9846649 NCBI chr 3:77,893,425...77,901,166
Ensembl chr 3:77,893,425...77,901,159 		JBrowse link
G Chrm5 cholinergic receptor, muscarinic 5 multiple interactions ISO rocuronium inhibits the reaction [N-Methylscopolamine binds to CHRM5 protein] CTD PMID:9846649 NCBI chr 3:99,284,846...99,337,252
Ensembl chr 3:99,284,846...99,337,252 		JBrowse link
G Chrna3 cholinergic receptor nicotinic alpha 3 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]]; rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr 8:55,401,668...55,415,165
Ensembl chr 8:55,401,702...55,415,165 		JBrowse link
G Chrna4 cholinergic receptor nicotinic alpha 4 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] CTD PMID:16931985 NCBI chr 3:168,136,246...168,157,839
Ensembl chr 3:168,136,266...168,156,957 		JBrowse link
G Chrna7 cholinergic receptor nicotinic alpha 7 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of CHRNA7 protein] CTD PMID:16931985 NCBI chr 1:116,711,559...116,837,269
Ensembl chr 1:116,714,711...116,837,240 		JBrowse link
G Chrnb2 cholinergic receptor nicotinic beta 2 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB2 protein]]; rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] CTD PMID:16931985 NCBI chr 2:175,181,402...175,189,619
Ensembl chr 2:175,181,402...175,189,619 		JBrowse link
G Chrnb4 cholinergic receptor nicotinic beta 4 subunit multiple interactions ISO rocuronium inhibits the reaction [Acetylcholine results in increased activity of [CHRNA3 protein binds to CHRNB4 protein]] CTD PMID:16931985 NCBI chr 8:55,417,583...55,437,027
Ensembl chr 8:55,418,313...55,437,027 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      application 19689
        pharmaceutical 19525
          drug 19525
            neuromuscular agent 1322
              rocuronium 10
                rocuronium bromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            heteroorganic entity 19505
                              organochalcogen compound 19268
                                organooxygen compound 19184
                                  carbon oxoacid 18654
                                    carboxylic acid 18651
                                      monocarboxylic acid 18000
                                        acetic acid 11083
                                          acetate ester 4056
                                            rocuronium 10
                                              rocuronium bromide 0
paths to the root